RHPS 4 metosulfato - ≥98%(HPLC) , CAS No.390362-78-4

CAS: 390362-78-4 Cat. No.: R287983 Peso molecular: 459.5 PubChem CID: 9804187

GRADE & PURITY ≥98%(HPLC)

Synonyms

3,11-Difluoro-6,8,13-trimetil-8H-quino[4,3,2,kl]acridinium methosulfate, NSC 714187, Quino[4,3,2-kl]acridinium | RHPS4 methosulfate | 3,11-difluoro-6,8,13-trimetil-8H-quinolino[4,3,2-kl]acridin-13-ium methyl sulfate

Storage

Conservar a 2-8°C,Protegido de la luz

Shipped In

Hielo húmedo

Specifications

Sinónimos

3, 11-Difluoro-6, 8, 13-trimetil-8H-quino[4, 3, 2, kl]acridinium methosulfate, NSC 714187, Quino[4, 3, 2-kl]acridinium | RHPS4 methosulfate | 3, 11-difluoro-6, 8, 13-trimetil-8H-quinolino[4, 3, 2-kl]acridin-13-ium methyl sulfate

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Inhibidor de la telomerasa. Inhibe el crecimiento de células de meduloblastoma y glioblastoma in vitro. Induce la lesión de los telómeros y la apoptosis, y reduce el crecimiento de xenoinjertos de células de cáncer de mama CG5 en ratones. Sensibiliza a la

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz

Enviado en

Hielo húmedo

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504764872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764872
• Sonrisas canónicas: CC1=CC2=C3C(=C1)N(C4=C(C3=[N+](C5=C2C=C(C=C5)F)C)C=C(C=C4)F)C.COS(=O)(=O)[O-]
• IUPAC Name: 4,16-difluoro-8,11,20-trimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14(19),15,17-decaene;methyl sulfate
• InChIKey: VRWGYMXWYZBBGF-UHFFFAOYSA-M
• INCHI: 1S/C22H17F2N2.CH4O4S/c1-12-8-16-15-10-13(23)4-6-18(15)26(3)22-17-11-14(24)5-7-19(17)25(2)20(9-12)21(16)22;1-5-6(2,3)4/h4-11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
• Isómeros SMILES: CC1=CC2=C3C(=C1)N(C4=C(C3=[N+](C5=C2C=C(C=C5)F)C)C=C(C=C4)F)C.COS(=O)(=O)[O-]
• PubChem CID: 9804187
• Peso molecular: 459.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthridines and derivatives
• Alternative Parents: Acridines Haloquinolines Isoquinolines and derivatives Naphthyridines Sulfuric acid monoesters Alkyl sulfates Aryl fluorides Benzenoids Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organic oxides Organofluorides Organic cations
• Molecular Framework: Not available
• Substituents: Acridine - Phenanthridine - Haloquinoline - Isoquinoline - Naphthyridine - Aryl fluoride - Aryl halide - Pyridine - Pyridinium - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Benzenoid - Organic sulfuric acid or derivatives - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

TERT Tchem Telomerase reverse transcriptase (1 Activities)

Discover Target: TERT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TERT Tchem Telomerase reverse transcriptase (2428 Activities)

Discover Target: TERT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 4.58, Max Conc. mM: 10 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 9.17, Max Conc. mM: 20
• Sensibilidad: light sensitive
• Peso molecular: 458.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 458.111 Da
• Monoisotopic Mass: 458.111 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 633.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3